One of the artificial intelligence applications in the biomedical field is knowledge-intensive question-answering. As domain expertise is particularly crucial in this field, we propose a method for efficiently infusing biomedical knowledge into pretrained language models, ultimately targeting biomedical question-answering. Transferring all semantics of a large knowledge graph into the entire model requires too many parameters, increasing computational cost and time. We investigate an efficient approach that leverages adapters to inject Unified Medical Language System knowledge into pretrained language models, and we question the need to use all semantics in the knowledge graph. This study focuses on strategies of partitioning knowledge graph and either discarding or merging some for more efficient pretraining. According to the results of three biomedical question answering finetuning datasets, the adapters pretrained on semantically partitioned group showed more efficient performance in terms of evaluation metrics, required parameters, and time. The results also show that discarding groups with fewer concepts is a better direction for small datasets, and merging these groups is better for large dataset. Furthermore, the metric results show a slight improvement, demonstrating that the adapter methodology is rather insensitive to the group formulation.
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http://dx.doi.org/10.1038/s41598-023-41423-8 | DOI Listing |
Database (Oxford)
January 2025
Department of In Vitro Toxicology and Dermato-Cosmetology (IVTD), Vrije Universiteit Brussel, Laarbeeklaan 103, Brussels 1090, Belgium.
The European Union's ban on animal testing for cosmetic products and their ingredients, combined with the lack of validated animal-free methods, poses challenges in evaluating their potential repeated-dose organ toxicity. To address this, innovative strategies like Next-Generation Risk Assessment (NGRA) are being explored, integrating historical animal data with new mechanistic insights from non-animal New Approach Methodologies (NAMs). This paper introduces the TOXIN knowledge graph (TOXIN KG), a tool designed to retrieve toxicological information on cosmetic ingredients, with a focus on liver-related data.
View Article and Find Full Text PDFJ Chem Inf Model
January 2025
Center for Engineering Concepts Development, Department of Mechanical Engineering, University of Maryland, College Park, Maryland 20742, United States.
In 2020, nearly 3 million scientific and engineering papers were published worldwide (White, K. Publications Output: U.S.
View Article and Find Full Text PDFJ Chem Phys
January 2025
Department of Chemistry and James Franck Institute, University of Chicago, Chicago, Illinois 60637, USA.
Identifying informative low-dimensional features that characterize dynamics in molecular simulations remains a challenge, often requiring extensive manual tuning and system-specific knowledge. Here, we introduce geom2vec, in which pretrained graph neural networks (GNNs) are used as universal geometric featurizers. By pretraining equivariant GNNs on a large dataset of molecular conformations with a self-supervised denoising objective, we obtain transferable structural representations that are useful for learning conformational dynamics without further fine-tuning.
View Article and Find Full Text PDFNucleic Acids Res
January 2025
School of Biological Sciences, University of Edinburgh, Edinburgh, EH9 3JH, United Kingdom.
The growing demand for biological products drives many efforts to maximize expression of heterologous proteins. Advances in high-throughput sequencing can produce data suitable for building sequence-to-expression models with machine learning. The most accurate models have been trained on one-hot encodings, a mechanism-agnostic representation of nucleotide sequences.
View Article and Find Full Text PDFWorld J Hepatol
January 2025
Department of Gastroenterology, Zhangzhou Affiliated Hospital of Fujian Medical University, Zhangzhou 363000, Fujian Province, China.
Background: Recent research indicates that the intestinal microbial community, known as the gut microbiota, may play a crucial role in the pathogenesis of nonalcoholic fatty liver disease (NAFLD). To understand this relationship, this study used a comprehensive bibliometric analysis to explore and analyze the currently little-known connection between gut microbiota and NAFLD, as well as new findings and possible future pathways in this field.
Aim: To provide an in-depth analysis of the current focus issues and research developments on the interaction between gut microbiota and NAFLD.
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